SCHEMBL6016191

SCHEMBL6016191

CC(C)(C)OC(=O)C(N)(CN)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SYK P43405 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HIF1A Q16665 1/20 0.39
LTA4H P09960 1/20 0.39
LMNA P02545 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SLC7A5 Q01650 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7444531 0.99 ALDH1A1 (0.45) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL27703135 0.89 ALDH1A1 (0.46) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL27697836 0.89 ALDH1A1 (0.46) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL1731417 0.87 ALDH1A1 (0.45) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL27703130 0.87 ALDH1A1 (0.45) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL1731415 0.87 ALDH1A1 (0.45) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL11169957 0.87 ALDH1A1 (0.45) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL1626512 0.86 ALDH1A1 (0.44) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL27516607 0.86 ALDH1A1 (0.44) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL3404332 0.85 KMT2A (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086098-B1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2006-04-05 EP disclosed
CN-1135236-C 5-membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists �ճ�˹�عɷݹ�˾ 2004-01-21 CN disclosed
CN-1133647-C Heterocyclic compound used as leucocyte adherence inhibitor and VLA-4 antagonist �ճ�˹�عɷݹ�˾ 2004-01-07 CN disclosed
US-6660728-B2 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-09 US disclosed
US-20030153557-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH AND GENENTECH, INC. 2003-08-14 US disclosed
US-6566366-B1 For therapy of tumor growth, osteoporosis, inflammation and cardiovascular disorders AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-20 US disclosed
CN-1104421-C Novel imino derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2003-04-02 CN disclosed
CN-1064352-C Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2001-04-11 CN disclosed
EP-1086098-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2001-03-28 EP disclosed
EP-0960882-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-12-01 EP disclosed
WO-1999059992-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 WO disclosed
CN-1218047-A Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
CN-1216767-A Novel 5-membered ring heterocycles, their prepn. their use and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-05-19 CN disclosed
CN-1193022-A Heterocyclic compound used as leucocyte adherence inhibitor and VLA-4 antagonist HOECHST AG (DE) 1998-09-16 CN disclosed
CN-1187490-A 5-membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists HOECHST AG (DE) 1998-07-15 CN disclosed
CN-1179418-A Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 1998-04-22 CN disclosed
CN-1174836-A Novel imino derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 1998-03-04 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153557-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists ASGR1, PTMS, B3GNT2 ALDH1A1 2329/4885SYK 3577/4885KMT2A 3469/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.